Abstract

We report an extension of the molecular treatment of Ion‐Atom collisions at intermediate impact energies. It is first analysed how the ionization mechanism is taken into account through the population of bound excited states, leading mainly to a saturation of electron capture cross‐sections. Finally, the introduction of molecular pseudostates in the expansion of the time dependant electronic wave function allows to explicitly take into account the ionization channel and to calculate with a good accuracy ionization, excitation and electron capture cross sections in a large range of impact velocities (0.1<v<3.a.u.).